N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride

C22H23ClFN7O2 — CID 142796791

IUPACN-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.Cn1nc2cc(N3CCC(F)CC3)c(NC(=O)c3cocn3)cc2c1-c1ccnc(N)c1
InChIInChI=1S/C22H22FN7O2.ClH/c1-29-21(13-2-5-25-20(24)8-13)15-9-17(27-22(31)18-11-32-12-26-18)19(10-16(15)28-29)30-6-3-14(23)4-7-30;/h2,5,8-12,14H,3-4,6-7H2,1H3,(H2,24,25)(H,27,31);1H
InChIKeyXGZUFANDOJSKJT-UHFFFAOYSA-N
MW471.92 g/mol
LogP3.82
Rot. Bonds4

About N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride

N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 142796791) has the molecular formula C22H23ClFN7O2 and a molecular weight of 471.92 g/mol. Its IUPAC name is N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID142796791
Molecular FormulaC22H23ClFN7O2
Molecular Weight471.92 g/mol
Exact Mass471.16
IUPAC NameN-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.Cn1nc2cc(N3CCC(F)CC3)c(NC(=O)c3cocn3)cc2c1-c1ccnc(N)c1
InChIInChI=1S/C22H22FN7O2.ClH/c1-29-21(13-2-5-25-20(24)8-13)15-9-17(27-22(31)18-11-32-12-26-18)19(10-16(15)28-29)30-6-3-14(23)4-7-30;/h2,5,8-12,14H,3-4,6-7H2,1H3,(H2,24,25)(H,27,31);1H
InChIKeyXGZUFANDOJSKJT-UHFFFAOYSA-N
XLogP3.82
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(2-amino-4-pyridinyl)-6-(4-hydroxypiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 142796794
N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457212
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118057618
4-(6-amino-3-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide;hydrochloride
CID 135221404
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
2-[2-(methylamino)-4-pyridinyl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118226407
N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226580
N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 91156888
N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123930185
2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608527
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride (CID 142796791) is N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride is Cl.Cn1nc2cc(N3CCC(F)CC3)c(NC(=O)c3cocn3)cc2c1-c1ccnc(N)c1.
What is the InChIKey of N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is XGZUFANDOJSKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2.ClH/c1-29-21(13-2-5-25-20(24)8-13)15-9-17(27-22(31)18-11-32-12-26-18)19(10-16(15)28-29)30-6-3-14(23)4-7-30;/h2,5,8-12,14H,3-4,6-7H2,1H3,(H2,24,25)(H,27,31);1H.
What are the key properties of N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride?
N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 471.92 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 142796791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).